N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide

C11H13N3O5 — CID 110495684

IUPACN-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide
SMILESCNC(=O)CONC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c1-12-11(16)7-19-13-10(15)6-8-4-2-3-5-9(8)14(17)18/h2-5H,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyZNRQTSNDTMLYIH-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.07
Rot. Bonds6

About N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide

N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide (PubChem CID 110495684) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide
PubChem CID110495684
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide
SMILESCNC(=O)CONC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c1-12-11(16)7-19-13-10(15)6-8-4-2-3-5-9(8)14(17)18/h2-5H,6-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyZNRQTSNDTMLYIH-UHFFFAOYSA-N
XLogP-0.07
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-nitrophenyl)acetate
CID 520464
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 107261265
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
1-methoxy-3-(2-nitrophenyl)propan-2-one
CID 63198880
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-nitrophenyl)acetate
CID 2479585
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide (CID 110495684) is N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide is CNC(=O)CONC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide?
The InChIKey is ZNRQTSNDTMLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-12-11(16)7-19-13-10(15)6-8-4-2-3-5-9(8)14(17)18/h2-5H,6-7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide?
N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide has a molecular weight of 267.24 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 110495684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).